Compound Detail
CHEMBL28361
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL28361 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QMMRHASQEVCJGR-UBHSHLNASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
0.14
ALogP
4
HBA
3
HBD
112.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1400.0 | nM | 5.85 | In vitro inhibitory activity against Angiotensin I converting enzyme | 2984419 |
| Angiotensin-converting enzyme | IC50 | = | 1400.0 | nM | 5.85 | Compound is evaluated for the inhibition of porcine plasma Angiotensin I convert... | 6256550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2984419 | 10.1021/jm00382a008 | Angiotensin-converting enzyme | 1 |
| 6256550 | 10.1021/jm00186a020 | Angiotensin-converting enzyme | 1 |
| 25016232 | 10.1016/j.ejmech.2014.07.015 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine